(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C17H15F4NO2 — CID 175737847

IUPAC(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESC[C@H]1Cc2c(-c3ccc(F)cc3F)ccnc2O[C@H]1COC(F)F
InChIInChI=1S/C17H15F4NO2/c1-9-6-13-11(12-3-2-10(18)7-14(12)19)4-5-22-16(13)24-15(9)8-23-17(20)21/h2-5,7,9,15,17H,6,8H2,1H3/t9-,15-/m0/s1
InChIKeyBTQOXSQNFDIONY-VFZGTOFNSA-N
MW341.30 g/mol
LogP4.21
Rot. Bonds4

About (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 175737847) has the molecular formula C17H15F4NO2 and a molecular weight of 341.30 g/mol. Its IUPAC name is (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID175737847
Molecular FormulaC17H15F4NO2
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC Name(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESC[C@H]1Cc2c(-c3ccc(F)cc3F)ccnc2O[C@H]1COC(F)F
InChIInChI=1S/C17H15F4NO2/c1-9-6-13-11(12-3-2-10(18)7-14(12)19)4-5-22-16(13)24-15(9)8-23-17(20)21/h2-5,7,9,15,17H,6,8H2,1H3/t9-,15-/m0/s1
InChIKeyBTQOXSQNFDIONY-VFZGTOFNSA-N
XLogP4.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 175737847) is (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is C[C@H]1Cc2c(-c3ccc(F)cc3F)ccnc2O[C@H]1COC(F)F.
What is the InChIKey of (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is BTQOXSQNFDIONY-VFZGTOFNSA-N. The full InChI is InChI=1S/C17H15F4NO2/c1-9-6-13-11(12-3-2-10(18)7-14(12)19)4-5-22-16(13)24-15(9)8-23-17(20)21/h2-5,7,9,15,17H,6,8H2,1H3/t9-,15-/m0/s1.
What are the key properties of (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 341.30 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 175737847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).